Geometry & MOs

Info

ID:	194250
PubChem CID:	78503658
Reduced:	ClN4O4C18H21 (1)
Stoich.:	AB4C4D18E21 (1)
Weight, g/mol:	402.080491
ΔH_f, kcal/mol:	-130.8
Dipole, Da:	5.22
IP(EA), eV:	-8.32(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyanophenyl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)COC(=O)C(C)NC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations